SCHEMBL9263087

SCHEMBL9263087

Cc1ccc(-c2nc3n(C)c4ccccc4n3c2CC(=O)N(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.54
▸ GABRB2 P47870 4/20 0.54
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ ALB P02768 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ GABRB1 P18505 1/20 0.54
▸ GABRG2 P18507 1/20 0.54
▸ GABRB3 P28472 1/20 0.54
▸ GABRA3 P34903 1/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ GABRA2 P47869 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ TSPO P30536 1/20 0.40
▸ NR4A2 P43354 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9264676 0.88 GABRA1 (0.46) GABRA1GABRB2LMNAKDM4EALB
SCHEMBL9261373 0.87 LMNA (0.47) LMNAKDM4EADORA1ADORA2BPOLB
SCHEMBL9261260 0.87 GABRA1 (0.52) GABRA1GABRB2LMNAKDM4EALB
SCHEMBL9267445 0.84 ADORA1 (0.41) GABRA1GABRB2LMNAKDM4EALB
SCHEMBL9261917 0.84 GABRA1 (0.47) GABRA1GABRB2LMNAKDM4EALB
SCHEMBL9258447 0.83 NR4A2 (0.43) GABRA1GABRB2LMNAKDM4EALB
SCHEMBL9257923 0.81 TSPO (0.46) GABRB2KDM4EHPGDGABRA2TSPO
SCHEMBL9265963 0.81 TSPO (0.46) GABRB2KDM4EHPGDGABRA2TSPO
SCHEMBL9258312 0.76 ADORA1 (0.38) GABRA1GABRB2LMNAKDM4EALB
SCHEMBL9261565 0.76 LMNA (0.48) LMNAKDM4EADORA1ADORA2BPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466706-A Compounds for hypnotics, anxiety or anticonvulsants SYNTHELABO (FR) 1995-11-14 — — US disclosed
EP-0607076-A1 9H-Imidazo 1,2-a benzimidazole derivatives with GABA activity SYNTHELABO (FR) 1994-07-20 — — EP disclosed
Send feedback